CHEBI:172501 - Linalyl benzoate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Linalyl benzoate
ChEBI ID CHEBI:172501
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H22O2
Net Charge 0
Average Mass 258.361
Monoisotopic Mass 258.16198
InChI InChI=1S/C17H22O2/c1-5-17(4,13-9-10-14(2)3)19-16(18)15-11-7-6-8-12-15/h5-8,10-12H,1,9,13H2,2-4H3
InChIKey BTJXBZZBBNNTOV-UHFFFAOYSA-N
SMILES O(C(CCC=C(C)C)(C)C=C)C(=O)C1=CC=CC=C1
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing Linalyl benzoate (CHEBI:172501) is a monoterpenoid (CHEBI:25409)
IUPAC Name
3,7-dimethylocta-1,6-dien-3-yl benzoate
Manual Xrefs Databases
29086 ChemSpider
HMDB0030431 HMDB
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Registry Number Type Source
126-64-7 CAS Registry Number ChemIDplus